[3-(3,4,5-trifluorophenyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol

C14H16F3NO — CID 172553509

IUPAC[3-(3,4,5-trifluorophenyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
SMILESOCC12CCCN1C(c1cc(F)c(F)c(F)c1)CC2
InChIInChI=1S/C14H16F3NO/c15-10-6-9(7-11(16)13(10)17)12-2-4-14(8-19)3-1-5-18(12)14/h6-7,12,19H,1-5,8H2
InChIKeyWCUYKDXUAGAWHZ-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.77
Rot. Bonds2

About [3-(3,4,5-trifluorophenyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol

[3-(3,4,5-trifluorophenyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol (PubChem CID 172553509) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is [3-(3,4,5-trifluorophenyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol.

Molecular Properties

Compound Name[3-(3,4,5-trifluorophenyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
PubChem CID172553509
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name[3-(3,4,5-trifluorophenyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
SMILESOCC12CCCN1C(c1cc(F)c(F)c(F)c1)CC2
InChIInChI=1S/C14H16F3NO/c15-10-6-9(7-11(16)13(10)17)12-2-4-14(8-19)3-1-5-18(12)14/h6-7,12,19H,1-5,8H2
InChIKeyWCUYKDXUAGAWHZ-UHFFFAOYSA-N
XLogP2.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4,5-trifluorophenyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The IUPAC name of [3-(3,4,5-trifluorophenyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol (CID 172553509) is [3-(3,4,5-trifluorophenyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol.
What is the SMILES notation for [3-(3,4,5-trifluorophenyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The canonical SMILES for [3-(3,4,5-trifluorophenyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol is OCC12CCCN1C(c1cc(F)c(F)c(F)c1)CC2.
What is the InChIKey of [3-(3,4,5-trifluorophenyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The InChIKey is WCUYKDXUAGAWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c15-10-6-9(7-11(16)13(10)17)12-2-4-14(8-19)3-1-5-18(12)14/h6-7,12,19H,1-5,8H2.
What are the key properties of [3-(3,4,5-trifluorophenyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
[3-(3,4,5-trifluorophenyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol has a molecular weight of 271.28 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4,5-trifluorophenyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol is sourced from PubChem (CID 172553509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).